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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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At least 739 records · Page 41

CFD Simulations of Molten Salts Within Plasma-Facing Components with Twisted Tape Inserts Under One-Sided–Heated Conditions

For liquid immersion blankets (LIBs), the heat removal within different plasma-facing components (PFCs) requires substantial heat removal capabilities that could benefit from the usage of heat transfer enhancements. Of consideration are twisted tape insert heat transfer enhancements that are ribbon-like metal pieces inserted within cooling channels that increase fluid mixing, resulting in higher heat transfer and pressure drop. Unlike traditional applications, PFCs such as divertor coolant tubes experience a significantly higher heat flux on one side versus the other or entirely one-sided heating. These conditions are not well studied for molten salts where the higher Prandtl numbers characteristic of the fluids are significantly higher than water, gases, and liquid metals. As an effort to study this knowledge gap, large eddy simulations were done with Prandtl numbers representative of FLiBe at proposed operating conditions. In this study, the effects of applying a surface heat flux to one side of a tube versus the entire tube with a twisted tape insert were investigated for the heat transfer coefficient and effects on the temperature profile. The findings of the study suggest that for Prandtl number fluids above unity, the Nusselt number was largely unaffected by the change in boundary condition. Both boundary conditions showed good agreement with the Manglik and Bergles Nusselt number correlation for tight-fitting twisted tapes. Finally, the outcomes of this study will be useful for future design studies of LIBs to provide fundamental guidance implementing twisted tape inserts and their performance in one-sided–heated conditions.

molten salts↗

Unusual reactivity of a flavin in a bifurcating electron-transferring flavoprotein leads to flavin modification and a charge-transfer complex

From the outset, canonical electron transferring flavoproteins (ETFs) earned a reputation for containing modified flavin. We now show that modification occurs in the recently recognized bifurcating (Bf) ETFs as well. In Bf ETFs, the ’electron transfer’ (ET) flavin mediates single electron transfer via a stable anionic semiquinone state, akin to the FAD of canonical ETFs, whereas a second flavin mediates bifurcation (the Bf FAD). We demonstrate that the ET FAD undergoes trans- formation to two different modified flavins by a sequence of protein-catalyzed reactions that occurs specifically in the ET site, when the enzyme is maintained at pH 9 in an amine-based buffer. Our optical and mass spectrometric characterizations identify 8-formyl flavin early in the process and 8-amino flavins (8AFs) at later times. The latter have not previously been documented in an ETF to our knowledge. Mass spectrometry of flavin products formed in Tris or bis-tris-aminopropane solutions demonstrates that the source of the amine adduct is the buffer. Stepwise reduction of the 8AF demonstrates that it can explain a charge transfer band observed near 726 nm in Bf ETF, as a complex involving the hydroquinone state of the 8AF in the ET site with the oxidized state of unmodified flavin in the Bf site. This supports the possibility that Bf ETF can populate a conformation enabling direct electron transfer between its two flavins, as has been proposed for cofactors brought together in complexes between ETF and its partner proteins.

36 MATERIALS SCIENCE↗

Review of the impacts of leaking CO 2 gas and brine on groundwater quality

This review paper provides a synthetic view of the existing knowledge and summarizes data and findings of the recent literature on the subject of the potential leaking of CO2 from the deep subsurface storage reservoirs and the effects on aquifer quality. New ideas and concepts are developed and insights are also provided. The objectives of this paper are to: 1) present and discuss potential risks for groundwater degradation due to CO2 gas and brine exposure; 2) identify the set of geochemical data required to assess and predict aquifer responses to CO2 and brine leakage. Specifically, this paper will discuss the following issues: 1) Aquifer responses (such as changes in aqueous phase/groundwater chemical composition; changes in solid phase chemistry and mineralogy; changes in the extent and rate of reactions and processes and possible establishment of a new network of reactions and processes affecting or controlling overall mobility of major, minor, and trace elements; development of conceptual and reduced order models (ROMs) to describe and predict aquifer responses); 2) The degree of impact such as significant or insignificant changes in pH and major, minor, and trace element release that depend on the following controlling variables; the effect of leaking plume characteristics (gas composition, pure CO2 and/or CO2 -CH4 -H2S mixtures and brine concentration and composition (trace metals); aquifer properties [such as initial aqueous phase conditions and mineralogy: minerals controlling sediments’ response (e.g., calcite, Si bearing minerals, etc.)]; overview of relevant hydrogeological and geochemical processes related to the impact of CO2 gas and brine on groundwater quality; the fate of the elements released from sediments or transported with brine (such as precipitation/incorporation into minerals (calcite and other minerals), adsorption, electron transfer reactions, the role of natural attenuation; whether or not the release of metals following exposure to CO2 harmful (risk assessment).

Qafoku, Nikolla P.↗

Tomography of atomic number and density of materials using dual-energy imaging and the Alvarez and Macovski attenuation model

Dual-energy computed tomography and the Alvarez and Macovski [Phys. Med. Biol. 21, 733 (1976)] transmitted intensity (AMTI) model were used in this study to estimate the maps of density (ρ) and atomic number (Z) of mineralogical samples. In this method, the attenuation coefficients are represented [Alvarez and Macovski, Phys. Med. Biol. 21, 733 (1976)] in the form of the two most important interactions of X-rays with atoms that is, photoelectric absorption (PE) and Compton scattering (CS). This enables material discrimination as PE and CS are, respectively, dependent on the atomic number (Z) and density (ρ) of materials [Alvarez and Macovski, Phys. Med. Biol. 21, 733 (1976)]. Dual-energy imaging is able to identify sample materials even if the materials have similar attenuation coefficients at single-energy spectrum. We use the full model rather than applying one of several applied simplified forms [Alvarez and Macovski, Phys. Med. Biol. 21, 733 (1976); Siddiqui et al., SPE Annual Technical Conference and Exhibition (Society of Petroleum Engineers, 2004); Derzhi, U.S. patent application 13/527,660 (2012); Heismann et al., J. Appl. Phys. 94, 2073–2079 (2003); Park and Kim, J. Korean Phys. Soc. 59, 2709 (2011); Abudurexiti et al., Radiol. Phys. Technol. 3, 127–135 (2010); and Kaewkhao et al., J. Quant. Spectrosc. Radiat. Transfer 109, 1260–1265 (2008)]. This paper describes the tomographic reconstruction of ρ and Z maps of mineralogical samples using the AMTI model. The full model requires precise knowledge of the X-ray energy spectra and calibration of PE and CS constants and exponents of atomic number and energy that were estimated based on fits to simulations and calibration measurements. The estimated ρ and Z images of the samples used in this paper yield average relative errors of 2.62% and 1.19% and maximum relative errors of 2.64% and 7.85%, respectively. Furthermore, we demonstrate that the method accounts for the beam hardening effect in density (ρ) and atomic number (Z) reconstructions to a significant extent.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

3D simulations of inertial confinement fusion implosions part 2: systematic flow anomalies and impact of low modes on performances in OMEGA experiments

We present the first 3D radiation-hydrodynamic simulations of directly driven inertial confinement fusion implosions with an inline package for polarized crossed-beam energy transfer, which were used to assess the impact of the current distributed polarization rotators (DPRs) on OMEGA as well as other known sources of asymmetry. Applied to OMEGA implosions, the simulations predict bang times with no need for ad hoc multipliers, as well as yields—if you separately account for the impacts of imprint and fuel age. The magnitude of the flow is well reproduced when the low mode sources are large, whereas the modeling of the stalk is thought to be required to match the flow magnitude in the remaining cases. For the cases explored in more detail, polarized cross-beam energy transfer (CBET)—the only known systematic drive asymmetry, brought the results closest to the measured flow vectors. The remaining discrepancies are shown to be stemming from the limited knowledge of the laser pointing modes. For typical current levels of beam mispointing, power imbalance, target offset, and asymmetry caused by polarized CBET, low modes degrade the yield by more than 40%. The current strategy of attempting to compensate the mode-1 asymmetry with a preimposed target offset recovers only about one-third of the losses caused by the low modes due to the dynamic nature of the multiple asymmetries and the presence of low modes other than l = 1. Furthermore, addressing the root causes of the drive asymmetries is apt to be more beneficial. To that end, one possible solution to the specific issue of polarized CBET (10 µm DPRs) is shown to work well.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Er Al :Al 2 ⁢O 3 for telecom-band photonics: Electronic structure and optical properties

Er-doped Al 2 ⁢O 3 is a promising host for telecom-band integrated photonics. Here, in this study, we combine ab initio calculations with a symmetry-resolved analysis to elucidate substitutional Er on the Al site (Er Al ) in 𝛼−Al 2 ⁢O 3 . First-principles relaxations confirm the structural stability of Er Al . We then use the local trigonal crystal-field symmetry to classify the Er-derived impurity levels by irreducible representations and to derive polarization-resolved electric-dipole selection rules, explicitly identifying the symmetry-allowed 𝑓−𝑑 hybridization channels. Kubo-Greenwood absorption spectra computed from Kohn-Sham states quantitatively corroborate these symmetry predictions. Furthermore, we connect the calculated intra-4⁢𝑓 line strengths to Judd-Ofelt theory, clarifying the role of 4⁢𝑓−5⁢𝑑 admixture in enabling optical activity. Notably, we predict a characteristic absorption near 1.47 µ⁢m (telecom band), relevant for on-chip amplification and emission. To our knowledge, a symmetry-resolved first-principles treatment of Er:Al 2 ⁢O 3 with an explicit Judd-Ofelt interpretation has not been reported, providing a transferable framework for tailoring rare-earth dopants in wide-band-gap oxides for integrated photonics. Our results for the optical spectra are in good agreement with experimental data. The resulting symmetry-based selection rules translate directly to polarization-dependent coupling in Al 2 ⁢O 3 integrated photonic waveguides and resonators, enabling device-level design of TE/TM-mode interaction with Er emitters in the 1.5-µ⁢m telecom band.

Er-doped Al2O3↗

On obtaining lunar mission launch opportunities

A general procedure for predicting launch opportunities for the RAE-B lunar orbiter mission is presented. It is shown that knowledge of the earth-moon distance and lunar phase and declination are sufficient to determine launch periods consistent with present mission constraints and to approximately predict launch, transfer, and arrival parameters such as park orbit coast time, the possiblity of shadows in all phases of the mission, arrival energy, and the amount of sunlit orbit time in the lunar orbit. Constraints on RAE-B include bounds on the spin axis-sun angle in the translunar trajectory, an upper limit on the arrival energy, and a minimum time for sunlight duration in lunar orbits are being considered for the mission. Comparisons are made of relevant parameters for the two cases. The general features of launch, transfer, and arrival parameters are discussed and are shown to be a function of lunar declination, flight time, and launch azimuth.

Swartwood, H., Jr.↗

Structural Aspects of System Identification

The problem of identifying linear dynamical systems is studied by considering structural and deterministic properties of linear systems that have an impact on stochastic identification algorithms. In particular considered is parametrization of linear systems so that there is a unique solution and all systems in appropriate class can be represented. It is assumed that a parametrization of system matrices has been established from a priori knowledge of the system, and the question is considered of when the unknown parameters of this system can be identified from input/output observations. It is assumed that the transfer function can be asymptotically identified, and the conditions are derived for the local, global and partial identifiability of the parametrization. Then it is shown that, with the right formulation, identifiability in the presence of feedback can be treated in the same way. Similarly the identifiability of parametrizations of systems driven by unobserved white noise is considered using the results from the theory of spectral factorization.

Glover, Keith↗

Influence of spatial variability of hydraulic characteristics of soils on surface parameters obtained from remote sensing data in infrared and microwaves

The correct interpretation of thermal and hydraulic soil parameters infrared from remotely sensed data (thermal infrared, microwaves) implies a good understanding of the causes of their temporal and spatial variability. Given this necessity, the sensitivity of the surface variables (temperature, moisture) to the spatial variability of hydraulic soil properties is tested with a numerical model of heat and mass transfer between bare soil and atmosphere. The spatial variability of hydraulic soil properties is taken into account in terms of the scaling factor. For a given soil, the knowledge of its frequency distribution allows a stochastic use of the model. The results are treated statistically, and the part of the variability of soil surface parameters due to that of soil hydraulic properties is evaluated quantitatively.

Brunet, Y.↗

The numerical simulation of the evolution of a Saharan dust outbreak by using a general prognostic aerosol model

A three-dimensional model is developed that explicitly predicts the evolution of the spatial distributions of aerosols utilizing a time-dependent, initial value prognostic aerosol model based on aerosol physicochemical processes, a knowledge of aerosol sinks and sources, and the predicted motions of the atmosphere. These models serve a useful purpose in determining standardized aerosol spectra for utilization in radiative transfer calculations. The first numerical prediction of a Saharan dust outbreak evolution is described. It is shown that the results are in qualitative agreement with measurements despite the fact that in this preliminary simulation the generation of the dust depended upon several empirically based assumptions. IR satellite photographs taken during GATE are being examined in an attempt to determine the sources of the dust.

Westphal, Douglas L.↗

Toy Gliders

Toy designers at Hasbro, Inc. wanted to create a foam glider that a child could fly with little knowledge of aeronautics. But early in its development, the Areo Nerf gliders had one critical problem: they didn't fly so well. Through NASA's Northeast Regional Technology Transfer Center, Hasbro was linked with aeronautical experts at Langley Research Center. The engineers provided information about how wing design and shape are integral to a glider's performance. The Hasbro designers received from NASA not only technical guidance but a hands-on tutorial on the physics of designing and flying gliders. Several versions of the Nerf glider were realized from the collaboration. For instance, the Super Soaring Glider can make long-range, high performance flights while the Ultra-Stunt Glider is ideal for performing aerial acrobatics.

Source record↗

From the Knowledge-based Digital Platform (KbDP) Concept for Advanced Air Mobility Research to a Preliminary Prototype

Advanced Air Mobility (AAM) encompasses a range of innovative operational and technological changes to aviation (electric aircraft, increasingly automated aircraft, increasingly automated airspace operations, etc.) that are transforming aviation’s role in everyday movement of people and goods. There are multiple associated concepts and use cases for AAM, all interrelated, including small Unmanned Aircraft System (UAS) Traffic Management (UTM), Upper-Class E Traffic Management (ETM), Extensible Traffic Management (xTM), Regional Air Mobility (RAM), and Urban Air Mobility (UAM). These AAM operations must integrate with traditional Air Traffic Management (ATM) operations, as well as non-aviation modes of transportation and logistics. National Aeronautics and Space Administration (NASA) is spearheading an innovative digital engineering approach to integrate, communicate, and facilitate the research of multi-modal transportation systems. The Knowledge-based Digital Platform (KbDP) is a concept being developed that ties the workflows of Project Managers (PM), Principal Investigators (PI), and System Engineers together across organizational boundaries. It does so through the management of an information database defined by mathematical, data science, and system engineering principles. Machine Learning (ML) algorithms play a key role in this concept by extracting meaningful knowledge from the information database, which the human user leverages to greatly improve the efficiency and effectiveness of their research. Expected benefits of this concept include improved technology transfers from research to production, improved research portfolio investments, and research outcomes that are more integrated with all aspects of the multi-modal transportation problem. The preliminary KbDP prototype has been realized using UAM as a pathfinder use case and developed by a team of system engineer, software developer, data scientist, and interns.

Systems Engineering↗

NASA/DOD Aerospace Knowledge Diffusion Research Project. Paper 34: Users and uses of DOD technical reports: A report from the field

The NASA/DoD Aerospace Knowledge Diffusion Research Project attempts to understand the information environment in which U.S. aerospace engineers and scientists work, the information-seeking behavior of U.S. aerospace engineers and scientists, and the factors that influence the use of scientific and technical information (STI) (Pinelli, Barclay, and Kennedy, 1991). Such an understanding could (1) lead to the development of practical theory, (2) contribute to the design and development of aerospace information systems, and (3) have practical implications for transferring the results of federally funded aerospace research and development (R&D) to the U.S. aerospace community. This paper presents data from two information-seeking behavior studies involving U.S. aerospace engineers and scientists that were undertaken as Phase 1 activities of the NASA/DoD Aerospace Knowledge Diffusion Research Project. Responses from three groups of respondents - DoD, other government, and industry - are presented for two sets of selected questions. One set focuses on DoD technical reports: their use and importance, reasons for non-use, the factors affecting their use, the sources used to find out about them and the sources used to physically obtain them, and the quality of DoD technical reports. The second set focuses on information sources used in problem solving: the use of U.S. government technical reports in problem solving and the information sources used to find out about U.S. government technical reports.

Pinelli, Thomas E.↗

Physics-guided neural networks with engineering domain knowledge for hybrid process modeling

As neural networks are more frequently used to solve problems in science and engineering, the methods used to incorporate scientific knowledge into these networks are becoming increasingly complex. Here, this work breaks down these complicated techniques into a set of basic strategies which can easily be applied to diverse situations. Several novel neural networks are built using the categories laid out in this work. These networks are tested on simulated data from a continuous stirred tank reactor (CSTR) model to evaluate the advantages provided by each network. The three points demonstrated in this work are: (1) architectural hybrid models can speed up convergence and reduce the amount of data necessary to train a model; (2) adding a physics-guided loss function can improve model generalization and make models more physically consistent; (3) using physics-guided initialization and transfer learning improves accuracy and speeds up convergence, but can harm generalizability if used incorrectly.

42 ENGINEERING↗

Evidence for autotrophic growth of purple sulfur bacteria using pyrite as electron and sulfur source

ABSTRACT Purple sulfur bacteria (PSB) are capable of anoxygenic photosynthesis via oxidizing reduced sulfur compounds and are considered key drivers of the sulfur cycle in a range of anoxic environments. In this study, we show that Allochromatium vinosum (a PSB species) is capable of autotrophic growth using pyrite as the electron and sulfur source. Comparative growth profile, substrate characterization, and transcriptomic sequencing data provided valuable insight into the molecular mechanisms underlying the bacterial utilization of pyrite and autotrophic growth. Specifically, the pyrite-supported cell cultures (“py”’) demonstrated robust but much slower growth rates and distinct patterns from their sodium sulfide-amended positive controls. Up to ~200-fold upregulation of genes encoding various c - and b -type cytochromes was observed in “py,” pointing to the high relevance of these molecules in scavenging and relaying electrons from pyrite to cytoplasmic metabolisms. Conversely, extensive downregulation of genes related to LH and RC complex components indicates that the electron source may have direct control over the bacterial cells’ photosynthetic activity. In terms of sulfur metabolism, genes encoding periplasmic or membrane-bound proteins (e.g., FccAB and SoxYZ) were largely upregulated, whereas those encoding cytoplasmic proteins (e.g., Dsr and Apr groups) are extensively suppressed. Other notable differentially expressed genes are related to flagella/fimbriae/pilin(+), metal efflux(+), ferrienterochelin(−), and [NiFe] hydrogenases(+). Characterization of the biologically reacted pyrite indicates the presence of polymeric sulfur. These results have, for the first time, put the interplay of PSB and transition metal sulfide chemistry under the spotlight, with the potential to advance multiple fields, including metal and sulfur biogeochemistry, bacterial extracellular electron transfer, and artificial photosynthesis. IMPORTANCE Microbial utilization of solid-phase substrates constitutes a critical area of focus in environmental microbiology, offering valuable insights into microbial metabolic processes and adaptability. Recent advancements in this field have profoundly deepened our knowledge of microbial physiology pertinent to these scenarios and spurred innovations in biosynthesis and energy production. Furthermore, research into interactions between microbes and solid-phase substrates has directly linked microbial activities to the surrounding mineralogical environments, thereby enhancing our understanding of the relevant biogeochemical cycles. Our study represents a significant step forward in this field by demonstrating, for the first time, the autotrophic growth of purple sulfur bacteria using insoluble pyrite (FeS2) as both the electron and sulfur source. The presented comparative growth profiles, substrate characterizations, and transcriptomic sequencing data shed light on the relationships between electron donor types, photosynthetic reaction center activities, and potential extracellular electron transfer in these organisms capable of anoxygenic photosynthesis. Furthermore, the findings of our study may provide new insights into early-Earth biogeochemical evolutions, offering valuable constraints for understanding the environmental conditions and microbial processes that shaped our planet’s history.

59 BASIC BIOLOGICAL SCIENCES↗

Tools for Design and Scale-Up of Solar Thermochemical Reactors: Cooperative Research and Development Final Report, CRADA Number CRD-13-00530

NREL will be collaborating with the Participant on a United States - Australia Solar Energy Collaboration (USASEC) Project Number 1-USO034 "Tools for design and scale-up of solar thermochemical reactors." The grant funds for the Participant's 3.5 year project number 1-US034 commencing on 1 February 2013 have been awarded to the Participant by the Australian Renewable Energy Agency and NREL will be collaborating with the Participant during the final 28 months of this project. This project seeks to provide basic knowledge required to design solar thermochemical reactors able to perform the required energy conversions. In several proposed and demonstrated reactors, concentrated sunlight directly irradiates small solid particles suspended in fluid, enabling very high heat transfer rates to the particles which are the sites of chemical reaction. The reactors, therefore, involve the complex and couple dynamics of turbulent, chemically reacting, particle-laden flows and their interaction with concentrating solar radiation. A strong understanding of these coupled interactions will be crucial important in predicting and optimizing the performance of prototype reactors, but this understanding does not yet exist, since they have never been studied in any fundamental way. The project has a assembled an internationally leading team from The University of New South Wales (UNSW) and the University of Adelaide in Australia and the NREL in the United States to address this key gap in available know-how. The project will use U.S. Dept. of Energy (DOE) supercomputers, among the most powerful available worldwide, with cutting-edge software tools to perform first-principles simulations of the relevant interactions. These studies will be combined with detailed laser-based measurements in Australia to provide the first comprehensive databases concerning the governing phenomena in directly irradiated solar-thermochemical reactors. The outcomes will be the basic scientific knowledge, engineering knowhow and modeling tools necessary to design new reactor concepts and then scale up from the laboratory bench to practical size systems.

14 SOLAR ENERGY↗

Evaluation of Flight Attendant Technical Knowledge

Accident and incident reports have indicated that flight attendants have numerous opportunities to provide the flight-deck crew with operational information that may prevent or lessen the severity of a potential problem. Additionally, as carrier fleets transition from three person to two person flight-deck crews, the reliance upon the cabin crew for the transfer of this information may increase further. Recent research indicates that flight attendants do not feel confident in their ability to describe mechanical parts or malfunctions of the aircraft, and the lack of flight attendant technical training has been referenced in a number of recent reports. Chute and Wiener describe five factors which may produce communication barriers between cockpit and cabin crews: the historical background of aviation, the physical separation of the two crews, psychosocial issues, regulatory factors, and organizational factors. By examining these areas of division we can identify possible bridges and address the implications of deficient cockpit/cabin communication on flight safety. Flight attendant operational knowledge may provide some mitigation of these barriers. The present study explored both flight attendant technical knowledge and flight attendant and pilot expectations of flight attendant technical knowledge. To assess the technical knowledge of cabin crewmembers, 177 current flight attendants from two U.S. carriers voluntarily completed a 13-item technical quiz. To investigate expectations of flight attendant technical knowledge, 181 pilots and a second sample of 96 flight attendants, from the same two airlines, completed surveys designed to capture each group's expectations of operational knowledge required of flight attendants. Analyses revealed several discrepancies between the present level of flight attendant operational knowledge and pilots' and flight attendants' expected and desired levels of technical knowledge. Implications for training will be discussed.

Dunbar, Melisa G.↗

Guanidinium Group Remains Protonated in a Strongly Basic Arginine Solution

Knowledge of the acid dissociation constant of an amino acid has very important ramifications in the biochemistry of proteins and lipid bilayers in aqueous environments because charge and proton transfer depend on its value. The acid dissociation constant for the guanidinium group in arginine has historically been posited as 12.5, but there is substantial variation in published values over the years. Recent experiments suggest that the dissociation constant for arginine is much higher than 12.5, which explains why the arginine guanidinium group retains its positive charge under all physiological conditions. Here, we use X-ray photoelectron spectroscopy to study unsupported, aqueous arginine nanoparticles. By varying the pH of the constituent solution, we provide evidence that the guanidinium group is protonated even in a very basic solution. By analyzing the energy shifts in the C and N X-ray photoelectron spectra, we establish a molecular level picture of how charge and proton transport in aqueous solutions of arginine occur.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗